Basic information
- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OC(=O)c2cccc(O)c2O)[C@@H](O)[C@H]1O- InChIKey
ULPVJDOMCRTJSN-RVXWVPLUSA-N- Molecular formula
- C17H18N5O10P
- Average molar mass
- 483.3 g/mol
- Monoisotopic mass
- 483.07912879
Overview
2,3-dihydroxybenzoyl 5'-adenylate is a purine ribonucleoside 5'-monophosphate and an adenosine 5'-phosphate. It has a role as an Escherichia coli metabolite. It is functionally related to an adenosine 5'-monophosphate. It is a conjugate acid of a 2,3-dihydroxybenzoyl 5'-adenylate(1-).
Names & identifiers
- Preferred name
- 2,3-Dihydroxybenzoyl 5'-adenylate
- IUPAC
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 2,3-dihydroxybenzoate
Names & synonyms
2,3-dihydroxybenzoyl 5'-adenylate(2,3-dihydroxybenzoyl)adenylate[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 2,3-dihydroxybenzoateadenosine 5'-(2,3-dihydroxybenzoyl hydrogen phosphate)5'-O-[(S)-[(2,3-dihydroxybenzene-1-carbonyl)oxy](hydroxy)phosphoryl]adenosineC04030SCHEMBL12190128CHEBI:15572DTXSID501344705(2,3-Dihydroxybenzoyl)adenylic acidQ27098110J2J
Database identifiers
- PubChem CID
- 440201
- DTXSID
DTXSID501344705- ChEBI
CHEBI:15572- Nikkaji
- J2.745.371F
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 233 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 766
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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